SCHEMBL12440689

SCHEMBL12440689

Cc1nn(CC2CCCCC2)c(C(F)(F)F)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CRHR1 P34998 4/20 0.40
HTR2A P28223 4/20 0.37
HTR2C P28335 4/20 0.37
SLC6A4 P31645 4/20 0.37
NR3C1 P04150 3/20 0.37
P2RX7 Q99572 1/20 0.37
SLC34A1 Q06495 3/20 0.35
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
OPRL1 P41146 1/20 0.33
GRM2 Q14416 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16200214 0.74 ADORA2A (0.40) MEN1KMT2A
SCHEMBL24757738 0.70 MEN1 (0.41) MEN1MAPTRAB9AKMT2ANPSR1
SCHEMBL18482876 0.69 MEN1 (0.49) MEN1MAPTRAB9AKMT2ANPSR1
SCHEMBL13493803 0.69 GAA (0.52) MEN1MAPTRAB9AKMT2ANPSR1
SCHEMBL18162861 0.68 CRHR1 (0.37) MEN1MAPTRAB9AKMT2ANPSR1
SCHEMBL16833300 0.67 MEN1 (0.54) MEN1MAPTRAB9AKMT2ANPSR1
SCHEMBL13693058 0.64 ADORA2A (0.39) MEN1MAPTKMT2ANR3C1
SCHEMBL25745868 0.64 HTR2C (0.39) MEN1MAPTRAB9AKMT2ANPSR1
SCHEMBL19592061 0.64 MDM2 (0.34) MEN1MAPTRAB9AKMT2ANPSR1
SCHEMBL31327140 0.64 KMT2A (0.38) MEN1MAPTRAB9AKMT2ANPSR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011095450-A1 CYCLOHEXYL AMIDE DERIVATIVES AS CRF RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2011-08-11 WO disclosed